Dataset

A alpha C; APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UA000804 contains the MS2 mass spectrum of A alpha C with the InChIkey FJTNLJLPLJDTRM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
SMILES c1ccc2c(c1)c1c([nH]2)nc(cc1)N
InChI Key FJTNLJLPLJDTRM-UHFFFAOYSA-N
Molecular Formula C11H9N3
Exact Mass 183.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA000804
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MetadataPublished 2014-06-24
Related Molecule
  • 9H-pyrido[2,3-b]indol-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C19186 KEGG Ligand
    255195 Brenda
    50515493 BindingDB
    CHEMBL4567642 ChEMBL
    82284 ChEBI
    DTXSID7020001 EPA CompTox Dashboard
    CB3330557 ChemicalBook
    J45.284J Nikkaji
    117437 Brenda
    HMDB0033141 Human Metabolome Database
    ZINC000018169811 ZINC
    62805 PubChem
    SCHEMBL1336333 SureChEMBL
    26148-68-5 ACToR
    P0GZ1ICS6X FDA SRS
    3714464 eMolecules
    The data in this table is sourced from UniChem at EBI.